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'Crystal Structure' in keywords Facet   Publication Year 2001  [X]
Facet   section ZfN Section A:Volume 056  [X]
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2001[X]
1Author    Hideta Ishihara, Toshiya Okajima, Keizo Horiuchia, Ingrid Svobodab, Hartmut FuessbRequires cookie*
 Title    Isolated versus Condensed Anion Structure VII: X-ray Structure Analysis of 1,3-Propanediammonium Dibromodichlorocadmate(II), [H3N(CH2)3NH3]CdBr2Cl2, and Estimation of Stability of Five-coordinated Halide Anions, MXg3-(M = Cd, Zn; X = Cl, Br) by Means of Ab-initio MO Calculations  
 Abstract    The coordination capability of Cl and Br in halogenocadmate(II) complexes is estimated by a solution of the structure of 1,3-propanediammonium dibromodichlorocadmate(II). The compound crystallizes as a layered anion structure with Cl bridges and Br terminals at 293 K: Imma, a = 741.56(7), b = 1869.5(5), and c -771.55(8) pm, Z = 4. In order to explain the stronger tendency of halogenocadmate(II) complexes to form layered structures as compared to halogenozincate(II), ab-initio calculations were performed. The stability of MX53-(M = Cd, Zn; X = Cl, Br) is compared. Isolated ZnX53-and CdBr53-ions are not stable. On the other hand a trigonal bipyramid CdCl53-ion is considered to be subtly stable in the crystal mainly due to Coulomb attractive interactions between the positively charged metal cation Cd2+ in a CdCl3 " fragment and two Cl-ions. 
  Reference    Z. Naturforsch. 56a, 641—646 (2001); received June 16 2001 
  Published    2001 
  Keywords    Crystal Structure, Halogenocadmate(II), Ab-initio MO Calculations 
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 TEI-XML for    default:Reihe_A/56/ZNA-2001-56a-0641.pdf 
 Identifier    ZNA-2001-56a-0641 
 Volume    56